2-(3-phenylphenyl)-4,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine

C54H52N6 — CID 135250598

IUPAC2-(3-phenylphenyl)-4,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine
SMILESCC1(C)N=C(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc2)N(c2ccccc2)C1(C)C
InChIInChI=1S/C54H52N6/c1-51(2)53(5,6)59(44-23-14-10-15-24-44)49(57-51)40-31-27-38(28-32-40)46-36-47(56-48(55-46)43-22-18-21-42(35-43)37-19-12-9-13-20-37)39-29-33-41(34-30-39)50-58-52(3,4)54(7,8)60(50)45-25-16-11-17-26-45/h9-36H,1-8H3
InChIKeyLCWDHSUSWBKMMZ-UHFFFAOYSA-N
MW785.05 g/mol
LogP12.79
Rot. Bonds8

About 2-(3-phenylphenyl)-4,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine

2-(3-phenylphenyl)-4,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine (PubChem CID 135250598) has the molecular formula C54H52N6 and a molecular weight of 785.05 g/mol. Its IUPAC name is 2-(3-phenylphenyl)-4,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-(3-phenylphenyl)-4,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine
PubChem CID135250598
Molecular FormulaC54H52N6
Molecular Weight785.05 g/mol
Exact Mass784.43
IUPAC Name2-(3-phenylphenyl)-4,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine
SMILESCC1(C)N=C(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc2)N(c2ccccc2)C1(C)C
InChIInChI=1S/C54H52N6/c1-51(2)53(5,6)59(44-23-14-10-15-24-44)49(57-51)40-31-27-38(28-32-40)46-36-47(56-48(55-46)43-22-18-21-42(35-43)37-19-12-9-13-20-37)39-29-33-41(34-30-39)50-58-52(3,4)54(7,8)60(50)45-25-16-11-17-26-45/h9-36H,1-8H3
InChIKeyLCWDHSUSWBKMMZ-UHFFFAOYSA-N
XLogP12.79
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.05
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,4,5,5-tetramethyl-1-phenyl-2-[4-[3-(4-phenylphenyl)-5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]phenyl]phenyl]imidazole
CID 135250550
2,4,6-tris[5-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-3-pyridinyl]pyrimidine
CID 135250773
4,4,5,5-tetramethyl-1-phenyl-2-[3-[7'-[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]imidazole
CID 135249937
2-[4-[2,3-diphenyl-4-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,4,5,5-tetramethyl-1-phenylimidazole
CID 135250383
4-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine
CID 118345386
2-[3-[3-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 167381341
2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-[6-phenyl-2-[3-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 163428819
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163457893
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163550723
2,4-diphenyl-6-[3-[4-[2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163428820
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
2,4,6-tris[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]pyrimidine
CID 135250723

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylphenyl)-4,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine?
The IUPAC name of 2-(3-phenylphenyl)-4,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine (CID 135250598) is 2-(3-phenylphenyl)-4,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine.
What is the SMILES notation for 2-(3-phenylphenyl)-4,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine?
The canonical SMILES for 2-(3-phenylphenyl)-4,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine is CC1(C)N=C(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc2)N(c2ccccc2)C1(C)C.
What is the InChIKey of 2-(3-phenylphenyl)-4,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine?
The InChIKey is LCWDHSUSWBKMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H52N6/c1-51(2)53(5,6)59(44-23-14-10-15-24-44)49(57-51)40-31-27-38(28-32-40)46-36-47(56-48(55-46)43-22-18-21-42(35-43)37-19-12-9-13-20-37)39-29-33-41(34-30-39)50-58-52(3,4)54(7,8)60(50)45-25-16-11-17-26-45/h9-36H,1-8H3.
What are the key properties of 2-(3-phenylphenyl)-4,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine?
2-(3-phenylphenyl)-4,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine has a molecular weight of 785.05 g/mol, XLogP of 12.79, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylphenyl)-4,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine is sourced from PubChem (CID 135250598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).